GRADE & PURITY ≥97%

Synonyms

AMY6122 | cyclopropyl-phenylmethanone | cyclopropyl-phenyl-methanone | FT-0622754 | Piperidine, 1-(1,1-dimethylethyl)-4,4-diphenyl- | AS-15710 | Brodimoprim [INN] | Methanone, cyclopropylphenyl- | MFCD00001294 | PJRHFTYXYCVOSJ-UHFFFAOYSA- | UNII-HZE54S9VG

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

It can be used to prepare α-cyclopropylstyrene by the Wittig reaction in dimethyl sulfoxide. It can be used as starting reagent during the (Z)-titanium enolate formation from cyclopropyl ketones via TiCl4-n-Bu4NI-induced ring opening reaction.

Specifications

Synonyms

AMY6122 | cyclopropyl-phenylmethanone | cyclopropyl-phenyl-methanone | FT-0622754 | Piperidine, 1-(1, 1-dimethylethyl)-4, 4-diphenyl- | AS-15710 | Brodimoprim [INN] | Methanone, cyclopropylphenyl- | MFCD00001294 | PJRHFTYXYCVOSJ-UHFFFAOYSA- | UNII-HZE54S9VG

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755135
• Canonical Smiles: C1CC1C(=O)C2=CC=CC=C2
• IUPAC Name: cyclopropyl(phenyl)methanone
• InChIKey: PJRHFTYXYCVOSJ-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
• Isomeric SMILES: C1CC1C(=O)C2=CC=CC=C2
• Molecular Weight: 146.19
• Beilstein: 7369
• Reaxy-Rn: 1860145
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860145&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Refractive Index: n20/D 1.553
• Flash Point(°F): 90°C
• Flash Point(°C): 90°C
• Boil Point(°C): 121-123 °C/15 mmHg
• Melt Point(°C): 7-9 °C
• Molecular Weight: 146.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1